N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoro-4-methoxybenzamide

C23H26FN5O2 — CID 122288395

IUPACN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoro-4-methoxybenzamide
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3ccc(OC)c(F)c3)cc2)n1
InChIInChI=1S/C23H26FN5O2/c1-5-29(6-2)21-13-15(3)25-23(28-21)27-18-10-8-17(9-11-18)26-22(30)16-7-12-20(31-4)19(24)14-16/h7-14H,5-6H2,1-4H3,(H,26,30)(H,25,27,28)
InChIKeyOZIJANSXIZVDOT-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.77
Rot. Bonds8

About N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoro-4-methoxybenzamide

N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoro-4-methoxybenzamide (PubChem CID 122288395) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoro-4-methoxybenzamide
PubChem CID122288395
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC NameN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoro-4-methoxybenzamide
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3ccc(OC)c(F)c3)cc2)n1
InChIInChI=1S/C23H26FN5O2/c1-5-29(6-2)21-13-15(3)25-23(28-21)27-18-10-8-17(9-11-18)26-22(30)16-7-12-20(31-4)19(24)14-16/h7-14H,5-6H2,1-4H3,(H,26,30)(H,25,27,28)
InChIKeyOZIJANSXIZVDOT-UHFFFAOYSA-N
XLogP4.77
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide
CID 18566738
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(trifluoromethoxy)benzamide
CID 122288391
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-3,4-dimethoxybenzamide
CID 44826831
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-ethoxybenzamide
CID 46362597
N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
CID 55125214
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide
CID 27537410
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-methoxybenzamide
CID 122296586
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide
CID 122296595
4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112924138
3-fluoro-4-methoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316419
3,4-dimethoxy-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 27478293
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122288400

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoro-4-methoxybenzamide (CID 122288395) is N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoro-4-methoxybenzamide is CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3ccc(OC)c(F)c3)cc2)n1.
What is the InChIKey of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is OZIJANSXIZVDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-5-29(6-2)21-13-15(3)25-23(28-21)27-18-10-8-17(9-11-18)26-22(30)16-7-12-20(31-4)19(24)14-16/h7-14H,5-6H2,1-4H3,(H,26,30)(H,25,27,28).
What are the key properties of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoro-4-methoxybenzamide?
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 423.49 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 122288395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).